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Structure paper

TitleDiscovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo.
Journal, issue, pagesACS Med Chem Lett, Vol. 8, Page 1252-1257, Year 2017
Publish dateJul 17, 2017 (structure data deposition date)
AuthorsKuttruff, C.A. / Ferrara, M. / Bretschneider, T. / Hoerer, S. / Handschuh, S. / Nosse, B. / Romig, H. / Nicklin, P. / Roth, G.J.
External linksACS Med Chem Lett / PubMed:29259743
MethodsX-ray diffraction
Resolution1.66 - 1.82 Å
Structure data

PDB-5ohi:
Crystal structure of autotaxin in complex with BI-2545
Method: X-RAY DIFFRACTION / Resolution: 1.66 Å

PDB-5olb:
crystal structure of autotaxin in complex with PF-8380
Method: X-RAY DIFFRACTION / Resolution: 1.82 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-K:
Unknown entry

ChemComp-P3G:
3,6,9,12,15-PENTAOXAHEPTADECANE

ChemComp-CL:
Unknown entry

ChemComp-9V8:
[3,5-bis(trifluoromethyl)phenyl]methyl (1~{S},5~{R})-6-[(1~{H}-benzotriazol-5-ylcarbonylamino)methyl]-3-azabicyclo[3.1.0]hexane-3-carboxylate

ChemComp-HOH:
WATER

ChemComp-PGE:
TRIETHYLENE GLYCOL

ChemComp-SO4:
SULFATE ION

ChemComp-6ZO:
(3,5-dichlorophenyl)methyl 4-[3-oxo-3-(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)propyl]piperazine-1-carboxylate

Source
  • mus musculus (house mouse)
KeywordsHYDROLASE / PHOSPHOLIPASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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